ethyl 3-methyl-5-[2-(4-methylphenyl)sulfanylethanoylamino]-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(4-methylphenyl)sulfanylethanoylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(p-tolylsulfanyl)acetyl]amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(4-methylphenyl)sulfanylacetyl]amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(p-tolylthio)acetyl]amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=CC=C(C=C2)C)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=CC=C(C=C2)C)SC#N)C

InChI

InChI=1S/C18H18N2O3S3/c1-4-23-18(22)16-12(3)15(25-10-19)17(26-16)20-14(21)9-24-13-7-5-11(2)6-8-13/h5-8H,4,9H2,1-3H3,(H,20,21)